2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline

C88H64N4 — CID 167612820

IUPAC2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6ccccc6n5)c4)c3)cc21
InChIInChI=1S/C47H34N2.C41H30N2/c1-47(2)42-23-8-6-21-39(42)40-26-25-36(30-43(40)47)34-17-10-16-33(27-34)35-18-12-20-38(29-35)46-48-44-24-9-7-22-41(44)45(49-46)37-19-11-15-32(28-37)31-13-4-3-5-14-31;1-41(2)36-17-8-6-15-33(36)34-24-23-32(26-37(34)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-38-18-9-7-16-35(38)39(43-40)28-11-4-3-5-12-28/h3-30H,1-2H3;3-26H,1-2H3
InChIKeyLHSAVWKZIYETMZ-UHFFFAOYSA-N
MW1177.51 g/mol
LogP22.88
Rot. Bonds9

About 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline (PubChem CID 167612820) has the molecular formula C88H64N4 and a molecular weight of 1177.51 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
PubChem CID167612820
Molecular FormulaC88H64N4
Molecular Weight1177.51 g/mol
Exact Mass1176.51
IUPAC Name2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6ccccc6n5)c4)c3)cc21
InChIInChI=1S/C47H34N2.C41H30N2/c1-47(2)42-23-8-6-21-39(42)40-26-25-36(30-43(40)47)34-17-10-16-33(27-34)35-18-12-20-38(29-35)46-48-44-24-9-7-22-41(44)45(49-46)37-19-11-15-32(28-37)31-13-4-3-5-14-31;1-41(2)36-17-8-6-15-33(36)34-24-23-32(26-37(34)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-38-18-9-7-16-35(38)39(43-40)28-11-4-3-5-12-28/h3-30H,1-2H3;3-26H,1-2H3
InChIKeyLHSAVWKZIYETMZ-UHFFFAOYSA-N
XLogP22.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.51
LogP ≤ 522.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
CID 163917077
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4-phenylquinazoline
CID 118472845
2-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-phenylquinazoline
CID 138574124
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
2-[4-(16,16-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472825
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
CID 129208486
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline (CID 167612820) is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6ccccc6n5)c4)c3)cc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline?
The InChIKey is LHSAVWKZIYETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2.C41H30N2/c1-47(2)42-23-8-6-21-39(42)40-26-25-36(30-43(40)47)34-17-10-16-33(27-34)35-18-12-20-38(29-35)46-48-44-24-9-7-22-41(44)45(49-46)37-19-11-15-32(28-37)31-13-4-3-5-14-31;1-41(2)36-17-8-6-15-33(36)34-24-23-32(26-37(34)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-38-18-9-7-16-35(38)39(43-40)28-11-4-3-5-12-28/h3-30H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline?
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline has a molecular weight of 1177.51 g/mol, XLogP of 22.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline is sourced from PubChem (CID 167612820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).